3-(3-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-(3-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-(3-methoxyphenyl)-2-(p-tolylmethylsulfanyl)-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-(3-methoxyphenyl)-2-[(4-methylphenyl)methylthio]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-(3-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-(3-methoxyphenyl)-2-[(4-methylbenzyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)NC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)NC5=CC=CC=C53

InChI

InChI=1S/C25H21N3O2S/c1-16-10-12-17(13-11-16)15-31-25-27-22-20-8-3-4-9-21(20)26-23(22)24(29)28(25)18-6-5-7-19(14-18)30-2/h3-14,26H,15H2,1-2H3